5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole

C8H14N2O2S — CID 117190628

IUPAC5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole
SMILESCc1cnc(S(C)(=O)=O)n1C(C)C
InChIInChI=1S/C8H14N2O2S/c1-6(2)10-7(3)5-9-8(10)13(4,11)12/h5-6H,1-4H3
InChIKeyGWZPAFVDCSERAF-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.18
Rot. Bonds2

About 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole

5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole (PubChem CID 117190628) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole
PubChem CID117190628
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole
SMILESCc1cnc(S(C)(=O)=O)n1C(C)C
InChIInChI=1S/C8H14N2O2S/c1-6(2)10-7(3)5-9-8(10)13(4,11)12/h5-6H,1-4H3
InChIKeyGWZPAFVDCSERAF-UHFFFAOYSA-N
XLogP1.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylsulfonylmethyl)-5-methyl-1-propan-2-ylimidazole
CID 117188566
ethyl 2-(5-methyl-1-propan-2-ylimidazol-2-yl)propanoate
CID 132917607
5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 19430211
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188539
2-(4-bromophenoxy)-5-methyl-1-propan-2-ylimidazole
CID 117190772
1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
9-propan-2-ylpurine-8-sulfonic acid
CID 174675108
5-methyl-1-propan-2-yl-2-pyrrolidin-3-ylimidazole;dihydrochloride
CID 146065252
6-(difluoromethyl)-2-methylsulfonyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 166117986
5-(2,3-dimethylphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 113366057

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole?
The IUPAC name of 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole (CID 117190628) is 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole.
What is the SMILES notation for 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole?
The canonical SMILES for 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole is Cc1cnc(S(C)(=O)=O)n1C(C)C.
What is the InChIKey of 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole?
The InChIKey is GWZPAFVDCSERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(2)10-7(3)5-9-8(10)13(4,11)12/h5-6H,1-4H3.
What are the key properties of 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole?
5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole has a molecular weight of 202.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfonyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117190628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).